2-[(4-phenethylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[(4-phenethyl-1-piperazinyl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-phenethylpiperazin-1-yl)methyl]-5-[(E)-2-phenylethenyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-phenethylpiperazino)methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione Formula: C23H27N5S MolecularWeight: 405.55898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)CN3C(=S)N=C(N3)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)CN3C(=S)N=C(N3)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H27N5S/c29-23-24-22(12-11-20-7-3-1-4-8-20)25-28(23)19-27-17-15-26(16-18-27)14-13-21-9-5-2-6-10-21/h1-12H,13-19H2,(H,24,25,29)/b12-11+